SCHEMBL3456747

SCHEMBL3456747

OB(O)c1cccc(-c2ccccc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HNF4A P41235 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BACE1 P56817 2/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MGLL Q99685 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ESR2 Q92731 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL358654 0.85 ALDH1A1 (0.43) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL910660 0.83 ALDH1A1 (0.44) HDAC4HDAC2HDAC8HDAC6HNF4A
Benzene SCHEMBL28163950 0.82 ALDH1A1 (0.48) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL29838597 0.82 ALDH1A1 (0.48) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL21933 0.82 ALDH1A1 (0.48) HDAC4HDAC2HDAC8HDAC6ALDH1A1
Methyl Alcohol SCHEMBL28631854 0.80 ALDH1A1 (0.46) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL28326904 0.80 ALDH1A1 (0.46) HDAC4HDAC2HDAC8HDAC6ALDH1A1
Water SCHEMBL29954878 0.80 ALDH1A1 (0.46) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL60283 0.79 HDAC4 (0.65) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL30605196 0.79 HDAC4 (0.65) HDAC4HDAC2HDAC8HDAC6HNF4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747995-B Nitrogen-containing aryloxy cyclopentadienyl titanium compound and preparation method and application thereof 上海化工研究院有限公司 2023-02-21 CN disclosed
CN-111747995-A Nitrogen-containing aryloxy cyclopentadienyl titanium compound and preparation method and application thereof 上海化工研究院有限公司 2020-10-09 CN disclosed
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 US disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
EP-2240016-A1 AMPK MODULATORS Mercury Therapeutics, Inc. (US) 2010-10-20 EP disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 US disclosed
WO-2009100130-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150266892-A1 AMPK Modulators PRKAG1, PRKAG2, PRKAG3 HDAC4 405/4885HDAC2 817/4885HDAC8 680/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 HDAC4 405/4885HDAC2 817/4885HDAC8 680/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 HDAC4 405/4885HDAC2 817/4885HDAC8 680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.